1-(dimethylsulfamoylamino)cyclopentane-1-carbothioamide

C8H17N3O2S2 — CID 61122660

IUPAC1-(dimethylsulfamoylamino)cyclopentane-1-carbothioamide
SMILESCN(C)S(=O)(=O)NC1(C(N)=S)CCCC1
InChIInChI=1S/C8H17N3O2S2/c1-11(2)15(12,13)10-8(7(9)14)5-3-4-6-8/h10H,3-6H2,1-2H3,(H2,9,14)
InChIKeyCIAOBBILZNSSPR-UHFFFAOYSA-N
MW251.38 g/mol
LogP-0.02
Rot. Bonds4

About 1-(dimethylsulfamoylamino)cyclopentane-1-carbothioamide

1-(dimethylsulfamoylamino)cyclopentane-1-carbothioamide (PubChem CID 61122660) has the molecular formula C8H17N3O2S2 and a molecular weight of 251.38 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)cyclopentane-1-carbothioamide
PubChem CID61122660
Molecular FormulaC8H17N3O2S2
Molecular Weight251.38 g/mol
Exact Mass251.08
IUPAC Name1-(dimethylsulfamoylamino)cyclopentane-1-carbothioamide
SMILESCN(C)S(=O)(=O)NC1(C(N)=S)CCCC1
InChIInChI=1S/C8H17N3O2S2/c1-11(2)15(12,13)10-8(7(9)14)5-3-4-6-8/h10H,3-6H2,1-2H3,(H2,9,14)
InChIKeyCIAOBBILZNSSPR-UHFFFAOYSA-N
XLogP-0.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(Aminomethyl)-1-(dimethylsulfamoylamino)cyclopentane
CID 28940502
1-(Dimethylsulfamoylamino)-1-methylcyclopentane
CID 47446914
1-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide
CID 54947200
1-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carbothioamide
CID 54947201
2-Ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide
CID 54947202
1-(Diethylsulfamoylamino)cyclohexane-1-carbothioamide
CID 61122078
2-(Dimethylsulfamoylamino)-2-ethylbutanethioamide
CID 61122098
1-(Azepan-1-ylsulfonylamino)cyclopentane-1-carbothioamide
CID 61122266
1-[(3-Methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide
CID 61122268
1-[(2-Methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide
CID 61122463
1-(Dimethylsulfamoylamino)cyclohexane-1-carbothioamide
CID 61122869
1-(Dimethylsulfamoylamino)cycloheptane-1-carbothioamide
CID 61123085

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoylamino)cyclopentane-1-carbothioamide?
The IUPAC name of 1-(dimethylsulfamoylamino)cyclopentane-1-carbothioamide (CID 61122660) is 1-(dimethylsulfamoylamino)cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-(dimethylsulfamoylamino)cyclopentane-1-carbothioamide?
The canonical SMILES for 1-(dimethylsulfamoylamino)cyclopentane-1-carbothioamide is CN(C)S(=O)(=O)NC1(C(N)=S)CCCC1.
What is the InChIKey of 1-(dimethylsulfamoylamino)cyclopentane-1-carbothioamide?
The InChIKey is CIAOBBILZNSSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S2/c1-11(2)15(12,13)10-8(7(9)14)5-3-4-6-8/h10H,3-6H2,1-2H3,(H2,9,14).
What are the key properties of 1-(dimethylsulfamoylamino)cyclopentane-1-carbothioamide?
1-(dimethylsulfamoylamino)cyclopentane-1-carbothioamide has a molecular weight of 251.38 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)cyclopentane-1-carbothioamide is sourced from PubChem (CID 61122660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).